N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide

C11H14N4O2S — CID 81118613

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCc1cnn(C)c1N
InChIInChI=1S/C11H14N4O2S/c1-15-10(12)7(6-14-15)5-13-11(16)9-8(17-2)3-4-18-9/h3-4,6H,5,12H2,1-2H3,(H,13,16)
InChIKeyRWSXLHQWJQPULR-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.00
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide (PubChem CID 81118613) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide
PubChem CID81118613
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCc1cnn(C)c1N
InChIInChI=1S/C11H14N4O2S/c1-15-10(12)7(6-14-15)5-13-11(16)9-8(17-2)3-4-18-9/h3-4,6H,5,12H2,1-2H3,(H,13,16)
InChIKeyRWSXLHQWJQPULR-UHFFFAOYSA-N
XLogP1.00
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide (CID 81118613) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCc1cnn(C)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is RWSXLHQWJQPULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15-10(12)7(6-14-15)5-13-11(16)9-8(17-2)3-4-18-9/h3-4,6H,5,12H2,1-2H3,(H,13,16).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81118613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).